[Pw_forum] Dear Professor

Stefano Baroni baroni at sissa.it
Tue Apr 29 15:54:06 CEST 2008


Dear Hua Peng: please, refer to the pw_form mailing list that you can  
subscribe from
http://www.pwscf.org
The calculation of phonon lifetimes from third-order perturbaton  
theory is discussed, e.g., in
A. Debernardi, S. Baroni, and E. Molinari, Phys. Rev. Lett. 75, 1819 -  
1822 (1995)
See also Dbernardi's PhD thesis: Anharmonic Properties of  
Semiconductors from Density Functional Perturbation Theory
Best wishes - SB

On Apr 29, 2008, at 3:05 PM, penghua8503 wrote:

>
>
>
> Dear Professor Baroni,
>    I am a postgraduate student from Shandong University in China I  
> run example14 in PWscf to calculate phonon life of Si. I got a  
> file(si.anh_G)produced by d3.x. But I do not understand the results  
> of it Are these dates the third derivative of energy? Using the file  
> in the result, how can I get the phonon life? Could you give me some  
> reference article? I really appreciate your help.
> Thanks again for reading this mail.
> Sincerely yours
> Hua Peng
>
> Hua Peng
> School of Physics
> Shandong University, Jinan 25100
> People' Republic of Chin
>
>
> 独栋情境别墅230万起,品鉴热线:60692999

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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